data_DSL # _chem_comp.id DSL _chem_comp.name "MONO-TRANS, OCTA-CIS DECAPRENYL-PHOSPHATE" _chem_comp.type non-polymer _chem_comp.pdbx_type HETAIN _chem_comp.formula "C50 H83 O4 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2010-11-11 _chem_comp.pdbx_modified_date 2011-10-14 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 779.165 _chem_comp.one_letter_code ? _chem_comp.three_letter_code DSL _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 2XXP _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.alt_atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_align _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.model_Cartn_x _chem_comp_atom.model_Cartn_y _chem_comp_atom.model_Cartn_z _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal _chem_comp_atom.pdbx_component_atom_id _chem_comp_atom.pdbx_component_comp_id _chem_comp_atom.pdbx_ordinal DSL C06 C06 C 0 1 N N N -12.336 32.433 -19.598 15.604 3.865 1.731 C06 DSL 1 DSL C07 C07 C 0 1 N N N -13.819 32.367 -19.378 16.573 3.996 0.584 C07 DSL 2 DSL C08 C08 C 0 1 N N N -14.525 31.045 -19.283 17.276 5.306 0.336 C08 DSL 3 DSL C09 C09 C 0 1 N N N -14.520 33.501 -19.248 16.804 2.970 -0.198 C09 DSL 4 DSL C10 C10 C 0 1 N N N -16.010 33.449 -19.024 16.008 1.702 -0.033 C10 DSL 5 DSL C11 C11 C 0 1 N N N -16.369 34.149 -17.714 15.305 1.365 -1.349 C11 DSL 6 DSL C12 C12 C 0 1 N N N -16.107 35.639 -17.755 14.509 0.097 -1.184 C12 DSL 7 DSL C13 C13 C 0 1 N N N -17.240 36.612 -17.610 15.177 -1.242 -1.366 C13 DSL 8 DSL C14 C14 C 0 1 N N N -14.870 36.123 -17.904 13.235 0.158 -0.882 C14 DSL 9 DSL C15 C15 C 0 1 N N N -14.711 37.621 -17.927 12.469 -1.107 -0.589 C15 DSL 10 DSL C16 C16 C 0 1 N N N -13.245 38.029 -17.856 11.854 -1.018 0.809 C16 DSL 11 DSL C17 C17 C 0 1 N N N -13.216 39.536 -17.917 11.088 -2.282 1.102 C17 DSL 12 DSL C18 C18 C 0 1 N N N -14.484 40.280 -18.197 11.801 -3.480 1.673 C18 DSL 13 DSL C19 C19 C 0 1 N N N -12.087 40.222 -17.726 9.801 -2.339 0.861 C19 DSL 14 DSL C20 C20 C 0 1 N N N -10.786 39.519 -17.442 9.114 -1.195 0.161 C20 DSL 15 DSL C21 C21 C 0 1 N N N -9.713 40.593 -17.325 8.369 -1.722 -1.067 C21 DSL 16 DSL C22 C22 C 0 1 N N N -9.703 41.367 -18.615 7.682 -0.577 -1.767 C22 DSL 17 DSL C23 C23 C 0 1 N N N -10.506 42.628 -18.734 8.432 0.243 -2.785 C23 DSL 18 DSL C24 C24 C 0 1 N N N -8.992 40.883 -19.643 6.433 -0.296 -1.490 C24 DSL 19 DSL C25 C25 C 0 1 N N N -8.219 39.605 -19.429 5.717 -1.042 -0.393 C25 DSL 20 DSL C26 C26 C 0 1 N N N -8.850 38.475 -20.234 5.120 -0.041 0.598 C26 DSL 21 DSL C27 C27 C 0 1 N N N -8.668 37.195 -19.455 4.404 -0.787 1.695 C27 DSL 22 DSL C28 C28 C 0 1 N N N -7.607 37.132 -18.400 5.163 -1.250 2.911 C28 DSL 23 DSL C29 C29 C 0 1 N N N -9.438 36.124 -19.701 3.121 -1.033 1.590 C29 DSL 24 DSL C30 C30 C 0 1 N N N -10.503 36.215 -20.762 2.391 -0.700 0.315 C30 DSL 25 DSL C31 C31 C 0 1 N N N -10.372 35.091 -21.786 1.640 -1.938 -0.181 C31 DSL 26 DSL C32 C32 C 0 1 N N N -11.293 35.467 -22.921 0.910 -1.604 -1.456 C32 DSL 27 DSL C33 C33 C 0 1 N N N -12.272 36.581 -22.719 1.613 -1.734 -2.783 C33 DSL 28 DSL C34 C34 C 0 1 N N N -11.280 34.851 -24.106 -0.336 -1.202 -1.412 C34 DSL 29 DSL C35 C35 C 0 1 N N N -10.338 33.727 -24.426 -0.997 -0.940 -0.083 C35 DSL 30 DSL C36 C36 C 0 1 N N N -10.648 33.272 -25.848 -1.550 0.487 -0.062 C36 DSL 31 DSL C37 C37 C 0 1 N N N -11.745 32.247 -25.812 -2.211 0.749 1.267 C37 DSL 32 DSL C38 C38 C 0 1 N N N -12.450 31.949 -24.517 -1.393 1.250 2.430 C38 DSL 33 DSL C39 C39 C 0 1 N N N -12.089 31.558 -26.916 -3.496 0.541 1.412 C39 DSL 34 DSL C40 C40 C 0 1 N N N -11.445 31.758 -28.256 -4.287 -0.093 0.298 C40 DSL 35 DSL C41 C41 C 0 1 N N N -11.179 30.383 -28.858 -5.044 -1.309 0.838 C41 DSL 36 DSL C42 C42 C 0 1 N N N -11.180 30.424 -30.359 -5.835 -1.944 -0.277 C42 DSL 37 DSL C43 C43 C 0 1 N N N -10.866 31.688 -31.103 -5.190 -2.976 -1.166 C43 DSL 38 DSL C44 C44 C 0 1 N N N -11.447 29.323 -31.080 -7.083 -1.598 -0.473 C44 DSL 39 DSL C45 C45 C 0 1 N N N -11.782 27.975 -30.495 -7.686 -0.467 0.320 C45 DSL 40 DSL C46 C46 C 0 1 N N N -12.346 27.165 -31.659 -8.295 0.559 -0.638 C46 DSL 41 DSL C47 C47 C 0 1 N N N -12.134 25.686 -31.465 -8.897 1.690 0.154 C47 DSL 42 DSL C48 C48 C 0 1 N N N -12.642 25.001 -30.247 -8.042 2.861 0.565 C48 DSL 43 DSL C49 C49 C 0 1 N N N -11.509 24.932 -32.372 -10.164 1.656 0.486 C49 DSL 44 DSL C50 C50 C 0 1 N N N -10.955 25.494 -33.643 -10.984 0.424 0.202 C50 DSL 45 DSL C51 C51 C 0 1 N N N -10.237 24.360 -34.351 -11.663 -0.046 1.490 C51 DSL 46 DSL C52 C52 C 0 1 N N N -9.912 24.785 -35.763 -12.483 -1.278 1.206 C52 DSL 47 DSL C53 C53 C 0 1 N N N -9.686 26.229 -36.110 -11.838 -2.639 1.251 C53 DSL 48 DSL C54 C54 C 0 1 N N N -9.825 23.892 -36.742 -13.756 -1.165 0.919 C54 DSL 49 DSL C55 C55 C 0 1 N N N -10.026 22.414 -36.540 -14.374 0.200 0.758 C55 DSL 50 DSL O56 O56 O 0 1 N N N -10.991 22.063 -37.529 -15.215 0.208 -0.397 O56 DSL 51 DSL P57 P57 P 0 1 N N N -10.604 21.495 -38.990 -16.038 1.508 -0.873 P57 DSL 52 DSL O58 O58 O 0 1 N N N -10.511 19.996 -38.766 -16.881 1.994 0.242 O58 DSL 53 DSL O59 O59 O 0 1 N N N -9.306 22.154 -39.406 -15.007 2.665 -1.311 O59 DSL 54 DSL O60 O60 O 0 1 N N N -11.780 21.959 -39.815 -16.974 1.121 -2.125 O60 DSL 55 DSL H061 H061 H 0 0 N N N -12.125 32.449 -20.678 15.610 4.784 2.317 H061 DSL 56 DSL H062 H062 H 0 0 N N N -11.937 33.346 -19.133 14.602 3.689 1.341 H062 DSL 57 DSL H063 H063 H 0 0 N N N -11.859 31.552 -19.145 15.901 3.028 2.363 H063 DSL 58 DSL H081 H081 H 0 0 N N N -14.698 30.647 -20.294 16.959 6.035 1.082 H081 DSL 59 DSL H082 H082 H 0 0 N N N -13.905 30.338 -18.712 18.354 5.159 0.407 H082 DSL 60 DSL H083 H083 H 0 0 N N N -15.490 31.181 -18.773 17.023 5.671 -0.659 H083 DSL 61 DSL H09 H09 H 0 1 N N N -14.017 34.455 -19.304 17.566 3.034 -0.961 H09 DSL 62 DSL H101 H101 H 0 0 N N N -16.520 33.955 -19.857 16.677 0.886 0.241 H101 DSL 63 DSL H102 H102 H 0 0 N N N -16.330 32.398 -18.970 15.264 1.840 0.752 H102 DSL 64 DSL H111 H111 H 0 0 N N N -17.440 33.990 -17.518 14.636 2.181 -1.623 H111 DSL 65 DSL H112 H112 H 0 0 N N N -15.736 33.721 -16.923 16.049 1.227 -2.134 H112 DSL 66 DSL H131 H131 H 0 0 N N N -17.386 36.850 -16.546 16.204 -1.092 -1.700 H131 DSL 67 DSL H132 H132 H 0 0 N N N -17.005 37.533 -18.163 15.177 -1.779 -0.418 H132 DSL 68 DSL H133 H133 H 0 0 N N N -18.160 36.166 -18.015 14.633 -1.821 -2.112 H133 DSL 69 DSL H14 H14 H 0 1 N N N -14.018 35.466 -18.004 12.735 1.114 -0.842 H14 DSL 70 DSL H151 H151 H 0 0 N N N -15.142 38.009 -18.862 11.677 -1.231 -1.327 H151 DSL 71 DSL H152 H152 H 0 0 N N N -15.229 38.037 -17.050 13.146 -1.960 -0.634 H152 DSL 72 DSL H161 H161 H 0 0 N N N -12.792 37.673 -16.919 12.646 -0.893 1.548 H161 DSL 73 DSL H162 H162 H 0 0 N N N -12.670 37.588 -18.684 11.177 -0.164 0.855 H162 DSL 74 DSL H181 H181 H 0 0 N N N -15.019 40.463 -17.253 11.780 -3.431 2.762 H181 DSL 75 DSL H182 H182 H 0 0 N N N -14.247 41.242 -18.676 11.304 -4.392 1.340 H182 DSL 76 DSL H183 H183 H 0 0 N N N -15.119 39.683 -18.868 12.836 -3.484 1.330 H183 DSL 77 DSL H19 H19 H 0 1 N N N -12.107 41.301 -17.776 9.233 -3.207 1.163 H19 DSL 78 DSL H201 H201 H 0 0 N N N -10.858 38.948 -16.504 8.405 -0.725 0.843 H201 DSL 79 DSL H202 H202 H 0 0 N N N -10.542 38.809 -18.246 9.857 -0.462 -0.152 H202 DSL 80 DSL H211 H211 H 0 0 N N N -9.939 41.264 -16.483 9.078 -2.191 -1.749 H211 DSL 81 DSL H212 H212 H 0 0 N N N -8.729 40.137 -17.141 7.626 -2.455 -0.754 H212 DSL 82 DSL H231 H231 H 0 0 N N N -10.703 43.034 -17.731 8.303 -0.199 -3.773 H231 DSL 83 DSL H232 H232 H 0 0 N N N -9.944 43.366 -19.325 8.042 1.261 -2.789 H232 DSL 84 DSL H233 H233 H 0 0 N N N -11.461 42.408 -19.234 9.491 0.259 -2.529 H233 DSL 85 DSL H24 H24 H 0 1 N N N -8.973 41.392 -20.595 5.916 0.471 -2.047 H24 DSL 86 DSL H251 H251 H 0 0 N N N -7.179 39.749 -19.758 4.919 -1.645 -0.826 H251 DSL 87 DSL H252 H252 H 0 0 N N N -8.240 39.344 -18.361 6.423 -1.690 0.126 H252 DSL 88 DSL H261 H261 H 0 0 N N N -9.921 38.674 -20.387 5.917 0.563 1.030 H261 DSL 89 DSL H262 H262 H 0 0 N N N -8.371 38.394 -21.221 4.413 0.607 0.079 H262 DSL 90 DSL H281 H281 H 0 0 N N N -6.616 37.117 -18.877 5.137 -0.471 3.674 H281 DSL 91 DSL H282 H282 H 0 0 N N N -7.686 38.014 -17.747 4.704 -2.158 3.303 H282 DSL 92 DSL H283 H283 H 0 0 N N N -7.740 36.219 -17.801 6.198 -1.456 2.637 H283 DSL 93 DSL H29 H29 H 0 1 N N N -9.296 35.209 -19.145 2.587 -1.475 2.419 H29 DSL 94 DSL H301 H301 H 0 0 N N N -11.489 36.142 -20.281 1.682 0.105 0.502 H301 DSL 95 DSL H302 H302 H 0 0 N N N -10.387 37.175 -21.286 3.109 -0.384 -0.442 H302 DSL 96 DSL H311 H311 H 0 0 N N N -9.334 35.003 -22.139 2.349 -2.743 -0.368 H311 DSL 97 DSL H312 H312 H 0 0 N N N -10.639 34.115 -21.354 0.922 -2.254 0.576 H312 DSL 98 DSL H331 H331 H 0 0 N N N -12.512 36.669 -21.649 1.465 -2.740 -3.175 H331 DSL 99 DSL H332 H332 H 0 0 N N N -11.832 37.524 -23.075 1.204 -1.007 -3.484 H332 DSL 100 DSL H333 H333 H 0 0 N N N -13.191 36.368 -23.284 2.679 -1.550 -2.648 H333 DSL 101 DSL H34 H34 H 0 1 N N N -11.976 35.175 -24.865 -0.890 -1.058 -2.328 H34 DSL 102 DSL H351 H351 H 0 0 N N N -9.296 34.072 -24.355 -1.812 -1.648 0.064 H351 DSL 103 DSL H352 H352 H 0 0 N N N -10.465 32.898 -23.715 -0.265 -1.057 0.716 H352 DSL 104 DSL H361 H361 H 0 0 N N N -10.971 34.135 -26.448 -0.735 1.195 -0.208 H361 DSL 105 DSL H362 H362 H 0 0 N N N -9.747 32.832 -26.299 -2.282 0.604 -0.861 H362 DSL 106 DSL H381 H381 H 0 0 N N N -11.711 31.876 -23.705 -1.384 2.340 2.425 H381 DSL 107 DSL H382 H382 H 0 0 N N N -13.162 32.757 -24.293 -1.830 0.894 3.362 H382 DSL 108 DSL H383 H383 H 0 0 N N N -12.992 30.996 -24.606 -0.372 0.878 2.342 H383 DSL 109 DSL H39 H39 H 0 1 N N N -12.873 30.820 -26.832 -3.989 0.825 2.330 H39 DSL 110 DSL H401 H401 H 0 0 N N N -12.114 32.333 -28.913 -4.999 0.630 -0.101 H401 DSL 111 DSL H402 H402 H 0 0 N N N -10.504 32.317 -28.148 -3.609 -0.410 -0.495 H402 DSL 112 DSL H411 H411 H 0 0 N N N -10.195 30.032 -28.515 -4.332 -2.032 1.236 H411 DSL 113 DSL H412 H412 H 0 0 N N N -11.980 29.704 -28.532 -5.722 -0.992 1.630 H412 DSL 114 DSL H431 H431 H 0 0 N N N -10.789 32.523 -30.392 -5.341 -3.967 -0.739 H431 DSL 115 DSL H432 H432 H 0 0 N N N -9.911 31.572 -31.636 -5.641 -2.934 -2.157 H432 DSL 116 DSL H433 H433 H 0 0 N N N -11.668 31.896 -31.827 -4.122 -2.772 -1.243 H433 DSL 117 DSL H44 H44 H 0 1 N N N -11.420 29.410 -32.156 -7.681 -2.125 -1.203 H44 DSL 118 DSL H451 H451 H 0 0 N N N -10.885 27.493 -30.079 -8.463 -0.857 0.977 H451 DSL 119 DSL H452 H452 H 0 0 N N N -12.500 28.055 -29.665 -6.910 0.011 0.918 H452 DSL 120 DSL H461 H461 H 0 0 N N N -13.426 27.360 -31.734 -7.518 0.949 -1.295 H461 DSL 121 DSL H462 H462 H 0 0 N N N -11.821 27.470 -32.576 -9.071 0.081 -1.237 H462 DSL 122 DSL H481 H481 H 0 0 N N N -12.767 23.928 -30.454 -8.078 3.627 -0.210 H481 DSL 123 DSL H482 H482 H 0 0 N N N -11.923 25.134 -29.425 -8.418 3.274 1.502 H482 DSL 124 DSL H483 H483 H 0 0 N N N -13.611 25.435 -29.960 -7.013 2.530 0.701 H483 DSL 125 DSL H49 H49 H 0 1 N N N -11.399 23.875 -32.181 -10.621 2.510 0.964 H49 DSL 126 DSL H501 H501 H 0 0 N N N -11.767 25.885 -34.274 -11.744 0.657 -0.544 H501 DSL 127 DSL H502 H502 H 0 0 N N N -10.266 26.326 -33.436 -10.335 -0.366 -0.176 H502 DSL 128 DSL H511 H511 H 0 0 N N N -9.307 24.121 -33.815 -10.903 -0.279 2.237 H511 DSL 129 DSL H512 H512 H 0 0 N N N -10.882 23.469 -34.372 -12.312 0.744 1.868 H512 DSL 130 DSL H531 H531 H 0 0 N N N -9.631 26.824 -35.187 -11.914 -3.044 2.261 H531 DSL 131 DSL H532 H532 H 0 0 N N N -8.743 26.329 -36.667 -12.346 -3.305 0.554 H532 DSL 132 DSL H533 H533 H 0 0 N N N -10.519 26.591 -36.730 -10.788 -2.553 0.973 H533 DSL 133 DSL H54 H54 H 0 1 N N N -9.598 24.245 -37.737 -14.363 -2.050 0.799 H54 DSL 134 DSL H551 H551 H 0 0 N N N -9.087 21.858 -36.680 -14.968 0.437 1.641 H551 DSL 135 DSL H552 H552 H 0 0 N N N -10.357 22.168 -35.520 -13.587 0.944 0.640 H552 DSL 136 DSL H60 H60 H 0 1 N N N -12.541 22.056 -39.255 -17.500 1.858 -2.465 H60 DSL 137 DSL H59 H59 H 0 1 N N N -9.307 22.292 -40.346 -14.422 2.415 -2.039 H59 DSL 138 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal DSL C06 C07 SING N N 1 DSL C07 C08 SING N N 2 DSL C07 C09 DOUB N N 3 DSL C09 C10 SING N N 4 DSL C10 C11 SING N N 5 DSL C11 C12 SING N N 6 DSL C12 C13 SING N N 7 DSL C12 C14 DOUB N N 8 DSL C14 C15 SING N N 9 DSL C15 C16 SING N N 10 DSL C16 C17 SING N N 11 DSL C17 C18 SING N N 12 DSL C17 C19 DOUB N N 13 DSL C19 C20 SING N N 14 DSL C20 C21 SING N N 15 DSL C21 C22 SING N N 16 DSL C22 C23 SING N N 17 DSL C22 C24 DOUB N N 18 DSL C24 C25 SING N E 19 DSL C25 C26 SING N N 20 DSL C26 C27 SING N N 21 DSL C27 C28 SING N N 22 DSL C27 C29 DOUB N N 23 DSL C29 C30 SING N N 24 DSL C30 C31 SING N N 25 DSL C31 C32 SING N N 26 DSL C32 C33 SING N N 27 DSL C32 C34 DOUB N N 28 DSL C34 C35 SING N N 29 DSL C35 C36 SING N N 30 DSL C36 C37 SING N N 31 DSL C37 C38 SING N Z 32 DSL C37 C39 DOUB N N 33 DSL C39 C40 SING N N 34 DSL C40 C41 SING N N 35 DSL C41 C42 SING N N 36 DSL C42 C43 SING N N 37 DSL C42 C44 DOUB N N 38 DSL C44 C45 SING N N 39 DSL C45 C46 SING N N 40 DSL C46 C47 SING N N 41 DSL C47 C48 SING N N 42 DSL C47 C49 DOUB N N 43 DSL C49 C50 SING N N 44 DSL C50 C51 SING N Z 45 DSL C51 C52 SING N N 46 DSL C52 C53 SING N N 47 DSL C52 C54 DOUB N N 48 DSL C54 C55 SING N N 49 DSL C55 O56 SING N N 50 DSL O56 P57 SING N N 51 DSL P57 O58 DOUB N N 52 DSL P57 O59 SING N N 53 DSL P57 O60 SING N N 54 DSL C06 H061 SING N N 55 DSL C06 H062 SING N N 56 DSL C06 H063 SING N N 57 DSL C08 H081 SING N Z 58 DSL C08 H082 SING N N 59 DSL C08 H083 SING N N 60 DSL C09 H09 SING N N 61 DSL C10 H101 SING N N 62 DSL C10 H102 SING N N 63 DSL C11 H111 SING N N 64 DSL C11 H112 SING N N 65 DSL C13 H131 SING N N 66 DSL C13 H132 SING N N 67 DSL C13 H133 SING N N 68 DSL C14 H14 SING N N 69 DSL C15 H151 SING N N 70 DSL C15 H152 SING N Z 71 DSL C16 H161 SING N N 72 DSL C16 H162 SING N N 73 DSL C18 H181 SING N N 74 DSL C18 H182 SING N N 75 DSL C18 H183 SING N N 76 DSL C19 H19 SING N N 77 DSL C20 H201 SING N N 78 DSL C20 H202 SING N N 79 DSL C21 H211 SING N N 80 DSL C21 H212 SING N N 81 DSL C23 H231 SING N N 82 DSL C23 H232 SING N N 83 DSL C23 H233 SING N Z 84 DSL C24 H24 SING N N 85 DSL C25 H251 SING N N 86 DSL C25 H252 SING N N 87 DSL C26 H261 SING N N 88 DSL C26 H262 SING N N 89 DSL C28 H281 SING N N 90 DSL C28 H282 SING N N 91 DSL C28 H283 SING N N 92 DSL C29 H29 SING N N 93 DSL C30 H301 SING N N 94 DSL C30 H302 SING N N 95 DSL C31 H311 SING N N 96 DSL C31 H312 SING N Z 97 DSL C33 H331 SING N N 98 DSL C33 H332 SING N N 99 DSL C33 H333 SING N N 100 DSL C34 H34 SING N N 101 DSL C35 H351 SING N N 102 DSL C35 H352 SING N N 103 DSL C36 H361 SING N N 104 DSL C36 H362 SING N N 105 DSL C38 H381 SING N N 106 DSL C38 H382 SING N N 107 DSL C38 H383 SING N N 108 DSL C39 H39 SING N N 109 DSL C40 H401 SING N Z 110 DSL C40 H402 SING N N 111 DSL C41 H411 SING N N 112 DSL C41 H412 SING N N 113 DSL C43 H431 SING N N 114 DSL C43 H432 SING N N 115 DSL C43 H433 SING N N 116 DSL C44 H44 SING N N 117 DSL C45 H451 SING N N 118 DSL C45 H452 SING N N 119 DSL C46 H461 SING N N 120 DSL C46 H462 SING N N 121 DSL C48 H481 SING N N 122 DSL C48 H482 SING N Z 123 DSL C48 H483 SING N N 124 DSL C49 H49 SING N N 125 DSL C50 H501 SING N N 126 DSL C50 H502 SING N N 127 DSL C51 H511 SING N N 128 DSL C51 H512 SING N N 129 DSL C53 H531 SING N N 130 DSL C53 H532 SING N N 131 DSL C53 H533 SING N N 132 DSL C54 H54 SING N N 133 DSL C55 H551 SING N N 134 DSL C55 H552 SING N N 135 DSL O60 H60 SING N N 136 DSL O59 H59 SING N N 137 # loop_ _pdbx_chem_comp_descriptor.comp_id _pdbx_chem_comp_descriptor.type _pdbx_chem_comp_descriptor.program _pdbx_chem_comp_descriptor.program_version _pdbx_chem_comp_descriptor.descriptor DSL SMILES_CANONICAL CACTVS 3.352 "CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CO[P](O)(O)=O" DSL SMILES CACTVS 3.352 "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O" DSL SMILES_CANONICAL "OpenEye OEToolkits" 1.6.1 "CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C" DSL SMILES "OpenEye OEToolkits" 1.6.1 "CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C)C)C)C)C)C)C)C" DSL InChI InChI 1.03 ;InChI=1S/C50H83O4P/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-54-55(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39- ; DSL InChIKey InChI 1.03 XBEJBEIXLWRYBT-DJNGBRKISA-N # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier DSL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.6.1 "[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] dihydrogen phosphate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site DSL "Create component" 2010-11-11 EBI DSL "Modify descriptor" 2011-06-04 RCSB #